CID 83487262

6,7-dichloro-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H4Cl2N2O2
SMILES
C1=CC(=C(C2=NNC(=C21)C(=O)O)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
QIIGYHMMVYKCAM-UHFFFAOYSA-N
Compound name
6,7-dichloro-2H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

229.96498 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97226 140.6
[M+Na]+ 252.95420 153.6
[M-H]- 228.95770 140.5
[M+NH4]+ 247.99880 159.3
[M+K]+ 268.92814 147.1
[M+H-H2O]+ 212.96224 135.9
[M+HCOO]- 274.96318 151.8
[M+CH3COO]- 288.97883 153.6
[M+Na-2H]- 250.93965 145.5
[M]+ 229.96443 144.0
[M]- 229.96553 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe